3F5H
 
 | | Crystal structure of fused docking domains from PikAIII and PikAIV of the pikromycin polyketide synthase | | Descriptor: | SODIUM ION, Type I polyketide synthase PikAIII, Type I polyketide synthase PikAIV fusion protein | | Authors: | Buchholz, T.J, Geders, T.W, Bartley, F.E, Reynolds, K.A, Smith, J.L, Sherman, D.H. | | Deposit date: | 2008-11-03 | | Release date: | 2009-01-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural basis for binding specificity between subclasses of modular polyketide synthase docking domains.
Acs Chem.Biol., 4, 2009
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4D98
 | | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in space group H32 at pH 7.5 | | Descriptor: | CHLORIDE ION, GLYCEROL, Purine nucleoside phosphorylase deoD-type, ... | | Authors: | Santos, C.R, Meza, A.N, Martins, N.H, Giuseppe, P.O, Murakami, M.T. | | Deposit date: | 2012-01-11 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
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4D9H
 | | Crystal structure of the hexameric purine nucleoside phosphorylase from Bacillus subtilis in complex with adenosine | | Descriptor: | ADENOSINE, Purine nucleoside phosphorylase deoD-type | | Authors: | Giuseppe, P.O, Martins, N.H, Meza, A.N, Murakami, M.T. | | Deposit date: | 2012-01-11 | | Release date: | 2012-09-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Insights into phosphate cooperativity and influence of substrate modifications on binding and catalysis of hexameric purine nucleoside phosphorylases.
Plos One, 7, 2012
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3F75
 | | Activated Toxoplasma gondii cathepsin L (TgCPL) in complex with its propeptide | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | | Deposit date: | 2008-11-07 | | Release date: | 2008-11-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Toxoplasma gondii cathepsin L is the primary target of the invasion-inhibitory compound morpholinurea-leucyl-homophenyl-vinyl sulfone phenyl.
J.Biol.Chem., 284, 2009
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4HWS
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4HZC
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4DE0
 | | CTX-M-9 class A beta-lactamase complexed with compound 16 | | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide | | Authors: | Nichols, D.N, Chen, Y. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
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4DZW
 | | Crystal Structure of Trypanosome cruzi farnesyl diphosphate synthase in complex with [2-(cyclohexylamino)ethane-1,1-diyl]bisphosphonic acid and Mg2+ | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Aripirala, S, Amzel, L.M, Gabelli, S.B. | | Deposit date: | 2012-03-01 | | Release date: | 2013-01-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Design, synthesis, calorimetry, and crystallographic analysis of 2-alkylaminoethyl-1,1-bisphosphonates as inhibitors of Trypanosoma cruzi farnesyl diphosphate synthase.
J.Med.Chem., 55, 2012
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3D0R
 | | Crystal structure of calG3 from Micromonospora echinospora determined in space group P2(1) | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein CalG3 | | Authors: | Bitto, E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N. | | Deposit date: | 2008-05-02 | | Release date: | 2008-06-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biochemical and structural insights of the early glycosylation steps in calicheamicin biosynthesis.
Chem.Biol., 15, 2008
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4DEF
 | | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from M. tuberculosis | | Descriptor: | ACETATE ION, Fructose-bisphosphate aldolase, SODIUM ION, ... | | Authors: | Capodagli, G.C, Pegan, S.D. | | Deposit date: | 2012-01-20 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Active site loop dynamics of a class IIa fructose 1,6-bisphosphate aldolase from Mycobacterium tuberculosis.
Biochemistry, 52, 2013
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4E0L
 | | FYLLYYT segment from human Beta 2 Microglobulin (62-68) displayed on 54-membered macrocycle scaffold | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cyclic pseudo-peptide FYLLYYT(ORN)KN(HAO)SA(ORN) | | Authors: | Zhao, M, Liu, C, Michael, S.R, Eisenberg, D. | | Deposit date: | 2012-03-04 | | Release date: | 2012-12-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Out-of-register beta-sheets suggest a pathway to toxic amyloid aggregates.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3RUU
 | | FXR with SRC1 and GSK237 | | Descriptor: | 6-(4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)-1H-indole-3-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | Authors: | Williams, S.P, Madauss, K.P. | | Deposit date: | 2011-05-05 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Alternative replacements of the stilbene.
Bioorg.Med.Chem.Lett., 21, 2011
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3D2O
 | | Crystal Structure of Manganese-metallated GTP Cyclohydrolase Type IB | | Descriptor: | AZIDE ION, CHLORIDE ION, LITHIUM ION, ... | | Authors: | Swairjo, M.A. | | Deposit date: | 2008-05-08 | | Release date: | 2009-05-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Zinc-independent folate biosynthesis: genetic, biochemical, and structural investigations reveal new metal dependence for GTP cyclohydrolase IB
J.Bacteriol., 191, 2009
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4I59
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3CY3
 | | Crystal structure of human proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V | | Descriptor: | (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile, 1,2-ETHANEDIOL, Pimtide peptide, ... | | Authors: | Filippakopoulos, P, Bullock, A, Fedorov, O, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-04-25 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Proto-oncogene serine threonine kinase (PIM1) in complex with a consensus peptide and the JNK inhibitor V.
To be Published
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3RZI
 | | The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from mycobacterium tuberculosis cocrystallized and complexed with phenylalanine and tryptophan | | Descriptor: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Jiao, W, Jameson, G.B, Hutton, R.D, Parker, E.J. | | Deposit date: | 2011-05-11 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Dynamic cross-talk among remote binding sites: the molecular basis for unusual synergistic allostery.
J.Mol.Biol., 415, 2012
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4E3J
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4E3X
 | | Crystal Structure of Mus musculus 1-pyrroline-5-carboxylate dehydrogenase cryoprotected in proline | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial, ... | | Authors: | Tanner, J.J, Pemberton, T.A. | | Deposit date: | 2012-03-10 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Proline: Mother Nature's cryoprotectant applied to protein crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
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3RYB
 | | Lactococcal OppA complexed with SLSQSLSQS | | Descriptor: | Oligopeptide, Oligopeptide-binding protein oppA | | Authors: | Berntsson, R.P.-A, Thunnissen, A.-M.W.H, Poolman, B, Slotboom, D.-J. | | Deposit date: | 2011-05-11 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Importance of a Hydrophobic Pocket for Peptide Binding in Lactococcal OppA.
J.Bacteriol., 193, 2011
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4I5H
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3D5R
 | | Crystal Structure of Efb-C (N138A) / C3d Complex | | Descriptor: | Complement C3, Fibrinogen-binding protein | | Authors: | Geisbrecht, B.V. | | Deposit date: | 2008-05-16 | | Release date: | 2008-09-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Electrostatic contributions drive the interaction between Staphylococcus aureus protein Efb-C and its complement target C3d.
Protein Sci., 17, 2008
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4DAY
 | | Crystal structure of the RMI core complex with MM2 peptide from FANCM | | Descriptor: | Fanconi anemia group M protein, RecQ-mediated genome instability protein 1, RecQ-mediated genome instability protein 2 | | Authors: | Hoadley, K.A, Keck, J.L. | | Deposit date: | 2012-01-13 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Defining the molecular interface that connects the Fanconi anemia protein FANCM to the Bloom syndrome dissolvasome.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3D5T
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2NOO
 | | Crystal Structure of Mutant NikA | | Descriptor: | IODIDE ION, NICKEL (II) ION, Nickel-binding periplasmic protein | | Authors: | Addy, C, Ohara, M, Kawai, F, Kidera, A, Ikeguchi, M, Fuchigami, S, Osawa, M, Shimada, I, Park, S.Y, Tame, J.R.H, Heddle, J.G. | | Deposit date: | 2006-10-26 | | Release date: | 2007-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Nickel binding to NikA: an additional binding site reconciles spectroscopy, calorimetry and crystallography.
Acta Crystallogr.,Sect.D, 63, 2007
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3S5Z
 | | Pharmacological Chaperoning in Human alpha-Galactosidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, GLYCEROL, ... | | Authors: | Guce, A.I, Clark, N.E, Garman, S.C. | | Deposit date: | 2011-05-23 | | Release date: | 2012-01-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | The molecular basis of pharmacological chaperoning in human alpha-galactosidase
Chem.Biol., 18, 2011
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